pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.71	AttenGpKa training set	1	0	COc1cc(C)nc(N)[nH+]1,COc1cc(C)[nH+]c(N)n1,COc1cc(C)nc([NH3+])n1	COc1cc(C)nc(N)n1	mol25728	COc1cc(C)nc(N)n1